smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1cc(S(=O)(=O)[O-])ccc1/N=N/c1ccc(S(=O)(=O)[O-])cc1NC(C)=O	ZINC000004266103	194386687	/nfs/dbraw/zinc/38/66/87/194386687.db2.gz	DBGAEQACQVRINO-FMQUCBEESA-N	-2	0	456.458	2.512	40	10		JFCBRL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1	ZINC000095909115	129927152	/nfs/dbraw/zinc/92/71/52/129927152.db2.gz	NYGJQEDISVOGKW-QVYJARAXSA-N	-2	0	478.460	2.993	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104204001	569842993	/nfs/dbraw/zinc/84/29/93/569842993.db2.gz	QTEULSNJILANLC-LYEHZDMLSA-N	-2	0	463.479	2.788	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104214160	569843203	/nfs/dbraw/zinc/84/32/03/569843203.db2.gz	VGMJLSSBYDZHOD-WWDJGNSZSA-N	-2	0	463.479	2.788	40	10		JFCBRL
COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(C(=O)[O-])c3)C2=O)c(OC)cc1Cl	ZINC000408774979	570039947	/nfs/dbraw/zinc/03/99/47/570039947.db2.gz	ZIADPOKYBNVUNR-KPKJPENVSA-N	-2	0	460.826	2.730	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000408945592	570083431	/nfs/dbraw/zinc/08/34/31/570083431.db2.gz	WXHDYBJZHTWYOA-NTUHNPAUSA-N	-2	0	475.251	2.918	40	10		JFCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C2=O)cc1OC	ZINC000409139517	570143898	/nfs/dbraw/zinc/14/38/98/570143898.db2.gz	AQNMMSMVVBJGEI-LICLKQGHSA-N	-2	0	498.488	2.618	40	10		JFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409190181	570161716	/nfs/dbraw/zinc/16/17/16/570161716.db2.gz	MDBGIJFDCISNKW-LDADJPATSA-N	-3	0	461.455	2.705	40	10		JFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000409192957	570162497	/nfs/dbraw/zinc/16/24/97/570162497.db2.gz	HOWQARJWFRBQMO-KPKJPENVSA-N	-2	0	494.266	2.526	40	10		JFCBRL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000409193634	570162735	/nfs/dbraw/zinc/16/27/35/570162735.db2.gz	IFNXNWLQALBARD-LDADJPATSA-N	-3	0	461.455	2.705	40	10		JFCBRL
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409195147	570163387	/nfs/dbraw/zinc/16/33/87/570163387.db2.gz	ROYQGZARIQZYTB-GZTJUZNOSA-N	-2	0	481.530	2.834	40	10		JFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409230275	570177582	/nfs/dbraw/zinc/17/75/82/570177582.db2.gz	XYZGMALPVOURTO-LVLBFHFTSA-N	-2	0	454.435	2.612	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409238243	570180786	/nfs/dbraw/zinc/18/07/86/570180786.db2.gz	CYRVQKRPWNMROB-ZRRZQRFHSA-N	-2	0	489.278	2.976	40	10		JFCBRL
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409238754	570181010	/nfs/dbraw/zinc/18/10/10/570181010.db2.gz	LAQKVSFXTPAXEP-LVLBFHFTSA-N	-2	0	470.503	2.777	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409249782	570185448	/nfs/dbraw/zinc/18/54/48/570185448.db2.gz	LLRINQJXJWOFAB-DSQDWWTGSA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409249785	570185459	/nfs/dbraw/zinc/18/54/59/570185459.db2.gz	LLRINQJXJWOFAB-LUYJPIOASA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)[O-]	ZINC000035087653	569674630	/nfs/dbraw/zinc/67/46/30/569674630.db2.gz	AOINDPNCVPWASS-KSSSLANASA-N	-2	0	461.268	2.771	40	10		JFCBRL
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000040567572	569830390	/nfs/dbraw/zinc/83/03/90/569830390.db2.gz	KMAMBUDAFBCZKZ-PBTLCFMXSA-N	-2	0	461.473	2.862	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104204003	569843043	/nfs/dbraw/zinc/84/30/43/569843043.db2.gz	QTEULSNJILANLC-ZFZZVZNFSA-N	-2	0	463.479	2.788	40	10		JFCBRL
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000108917298	569859812	/nfs/dbraw/zinc/85/98/12/569859812.db2.gz	YKQAWMOBDAPOJQ-BTAWCLGRSA-N	-2	0	461.268	2.771	40	10		JFCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000408739517	570031485	/nfs/dbraw/zinc/03/14/85/570031485.db2.gz	CKKVAJROZSIPDJ-WUXMJOGZSA-N	-2	0	493.213	2.880	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000408852524	570055855	/nfs/dbraw/zinc/05/58/55/570055855.db2.gz	GZNZDSHVAWNFLR-VZUCSPMQSA-N	-2	0	497.176	2.711	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409010280	570099344	/nfs/dbraw/zinc/09/93/44/570099344.db2.gz	BPNTXDUJKILKGN-ZRRZQRFHSA-N	-2	0	489.278	2.976	40	10		JFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000409020815	570102908	/nfs/dbraw/zinc/10/29/08/570102908.db2.gz	UFBPKSYXDCOXPB-KWWJGWKXSA-N	-2	0	454.504	2.941	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020866	570102931	/nfs/dbraw/zinc/10/29/31/570102931.db2.gz	UWXJHRGAOYZXDH-KNGSKEOJSA-N	-2	0	454.504	2.995	40	10		JFCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O)C(=O)[O-]	ZINC000409190029	570161643	/nfs/dbraw/zinc/16/16/43/570161643.db2.gz	UWFKXLHXHOWVJF-BTAWCLGRSA-N	-2	0	459.252	2.967	40	10		JFCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)C2=O)cc1OCC	ZINC000409191399	570162147	/nfs/dbraw/zinc/16/21/47/570162147.db2.gz	GMNDLXDINGZGGM-XDHOZWIPSA-N	-2	0	482.489	3.000	40	10		JFCBRL
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC	ZINC000409193418	570162798	/nfs/dbraw/zinc/16/27/98/570162798.db2.gz	KIKAGJHFUGLXEM-RIYZIHGNSA-N	-2	0	491.319	2.996	40	10		JFCBRL
Nc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1/N=N/c1ccc(S(=O)(=O)[O-])cc1	ZINC000004522867	527509662	/nfs/dbraw/zinc/50/96/62/527509662.db2.gz	NPWGMYKQRGYORG-VHEBQXMUSA-N	-3	0	487.493	2.578	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)[O-]	ZINC000035087657	569674647	/nfs/dbraw/zinc/67/46/47/569674647.db2.gz	AOINDPNCVPWASS-ZEVOCZHWSA-N	-2	0	461.268	2.771	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104204049	569842981	/nfs/dbraw/zinc/84/29/81/569842981.db2.gz	MMKWYDMAFMAUDD-GBWQBGJGSA-N	-2	0	469.508	2.850	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104204068	569843015	/nfs/dbraw/zinc/84/30/15/569843015.db2.gz	YWVNIDGLQZUIQQ-SVPNMLMASA-N	-2	0	492.521	2.800	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104214167	569843187	/nfs/dbraw/zinc/84/31/87/569843187.db2.gz	VGMJLSSBYDZHOD-ZFZZVZNFSA-N	-2	0	463.479	2.788	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104214146	569843268	/nfs/dbraw/zinc/84/32/68/569843268.db2.gz	JEXHFNSTXRONEH-HNQMNILESA-N	-2	0	492.521	2.800	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408695448	570017820	/nfs/dbraw/zinc/01/78/20/570017820.db2.gz	VEQULBFEIIJICI-NTUHNPAUSA-N	-2	0	481.299	2.716	40	10		JFCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000408741464	570032323	/nfs/dbraw/zinc/03/23/23/570032323.db2.gz	MDHSBYSFTBTDPA-PCJMVEANSA-N	-2	0	467.279	2.997	40	10		JFCBRL
CC(=O)Nc1cc(S(=O)(=O)[O-])ccc1N=Nc1ccc(S(=O)(=O)[O-])cc1NC(C)=O	ZINC000245238968	570057598	/nfs/dbraw/zinc/05/75/98/570057598.db2.gz	DBGAEQACQVRINO-UHFFFAOYSA-N	-2	0	456.458	2.512	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000408901978	570068878	/nfs/dbraw/zinc/06/88/78/570068878.db2.gz	DFDVMRJLNDOZKZ-WUXMJOGZSA-N	-2	0	450.176	2.868	40	10		JFCBRL
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000409069180	570117610	/nfs/dbraw/zinc/11/76/10/570117610.db2.gz	CGYIRHIAYYRPCM-AWNIVKPZSA-N	-2	0	493.255	2.910	40	10		JFCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)C(=O)[O-]	ZINC000409188670	570161274	/nfs/dbraw/zinc/16/12/74/570161274.db2.gz	JKHDOAASZGACCI-KBVGCWLLSA-N	-2	0	459.252	2.967	40	10		JFCBRL
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409191695	570162069	/nfs/dbraw/zinc/16/20/69/570162069.db2.gz	KXFNSMAUMDRMCH-MDWZMJQESA-N	-2	0	461.293	2.987	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409231799	570178010	/nfs/dbraw/zinc/17/80/10/570178010.db2.gz	KUMLLGYKRIYNTQ-DSQDWWTGSA-N	-2	0	454.504	2.995	40	10		JFCBRL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016688277	520629775	/nfs/dbraw/zinc/62/97/75/520629775.db2.gz	CQKUJUDVAYQWFM-ZSOIEALJSA-N	-2	0	455.379	2.992	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000009259657	521944938	/nfs/dbraw/zinc/94/49/38/521944938.db2.gz	ZIJCGLYHSJRLDU-QPEQYQDCSA-N	-2	0	481.299	2.716	40	10		JFCBRL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I)C(=O)[O-]	ZINC000033560368	569627800	/nfs/dbraw/zinc/62/78/00/569627800.db2.gz	WBRIHAKBWZMOEJ-RLIURORJSA-N	-2	0	478.242	2.605	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104204042	569843006	/nfs/dbraw/zinc/84/30/06/569843006.db2.gz	MMKWYDMAFMAUDD-KJXVGZKYSA-N	-2	0	469.508	2.850	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104214138	569843274	/nfs/dbraw/zinc/84/32/74/569843274.db2.gz	JEXHFNSTXRONEH-MWFTZXFNSA-N	-2	0	492.521	2.800	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104214156	569843283	/nfs/dbraw/zinc/84/32/83/569843283.db2.gz	VGMJLSSBYDZHOD-KRXRYSOXSA-N	-2	0	463.479	2.788	40	10		JFCBRL
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1	ZINC000408837097	570053243	/nfs/dbraw/zinc/05/32/43/570053243.db2.gz	YUUQJNQQNRJHPB-SFQUDFHCSA-N	-2	0	452.419	2.627	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000408940162	570082471	/nfs/dbraw/zinc/08/24/71/570082471.db2.gz	NPZVJNIZWVNINA-WUXMJOGZSA-N	-2	0	461.224	2.528	40	10		JFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409044437	570108265	/nfs/dbraw/zinc/10/82/65/570108265.db2.gz	CVKOHKWSGMLWPJ-MHWRWJLKSA-N	-2	0	489.278	2.978	40	10		JFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409044213	570108291	/nfs/dbraw/zinc/10/82/91/570108291.db2.gz	UJAVMCNNRLALBV-OVCLIPMQSA-N	-2	0	474.853	2.877	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409044987	570108408	/nfs/dbraw/zinc/10/84/08/570108408.db2.gz	WXTJHHQJFYCZRL-MKMNVTDBSA-N	-2	0	489.824	2.777	40	10		JFCBRL
C[C@@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)C(=O)[O-]	ZINC000409188669	570161270	/nfs/dbraw/zinc/16/12/70/570161270.db2.gz	JKHDOAASZGACCI-HGLKBHAMSA-N	-2	0	459.252	2.967	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000409194612	570163084	/nfs/dbraw/zinc/16/30/84/570163084.db2.gz	PSOOYCPEICAXHS-WUXMJOGZSA-N	-2	0	477.292	2.693	40	10		JFCBRL
O=Cc1ccc(NN=C2C(=O)c3c(O)c(S(=O)(=O)[O-])ccc3C=C2S(=O)(=O)[O-])cc1	ZINC000299888261	570177808	/nfs/dbraw/zinc/17/78/08/570177808.db2.gz	BUZNAPDPUUDJAE-UHFFFAOYSA-N	-2	0	452.422	2.972	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409238240	570180720	/nfs/dbraw/zinc/18/07/20/570180720.db2.gz	CYRVQKRPWNMROB-BTAWCLGRSA-N	-2	0	489.278	2.976	40	10		JFCBRL
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409238757	570181027	/nfs/dbraw/zinc/18/10/27/570181027.db2.gz	LAQKVSFXTPAXEP-VLURKWGBSA-N	-2	0	470.503	2.777	40	10		JFCBRL
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409242818	570182701	/nfs/dbraw/zinc/18/27/01/570182701.db2.gz	PEXPIIOZBMAFOZ-LVLBFHFTSA-N	-2	0	454.504	2.941	40	10		JFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000009260250	555034487	/nfs/dbraw/zinc/03/44/87/555034487.db2.gz	PYDKXYSSXWIWNT-PDGQHHTCSA-N	-2	0	461.430	2.859	40	10		JFCBRL
CC(=O)Nc1cc(S(=O)(=O)[O-])ccc1/N=N\c1ccc(S(=O)(=O)[O-])cc1NC(C)=O	ZINC000013403761	555396362	/nfs/dbraw/zinc/39/63/62/555396362.db2.gz	DBGAEQACQVRINO-VXPUYCOJSA-N	-2	0	456.458	2.512	40	10		JFCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000100194366	569755059	/nfs/dbraw/zinc/75/50/59/569755059.db2.gz	HHSLJRTTWVZYDB-FDIDWWNZSA-N	-2	0	467.279	2.997	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104203995	569843009	/nfs/dbraw/zinc/84/30/09/569843009.db2.gz	QTEULSNJILANLC-KRXRYSOXSA-N	-2	0	463.479	2.788	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000408850932	570055522	/nfs/dbraw/zinc/05/55/22/570055522.db2.gz	GOYKQTWLIJOKGH-VZUCSPMQSA-N	-2	0	450.176	2.868	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409053880	570110874	/nfs/dbraw/zinc/11/08/74/570110874.db2.gz	DELLFWPLDVWXIB-VGOFMYFVSA-N	-2	0	489.824	2.777	40	10		JFCBRL
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409190988	570161865	/nfs/dbraw/zinc/16/18/65/570161865.db2.gz	XSBBMWHQHIJODJ-LDADJPATSA-N	-2	0	451.504	2.825	40	10		JFCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)C2=O)cc1OCC	ZINC000409196216	570163606	/nfs/dbraw/zinc/16/36/06/570163606.db2.gz	UOPVCKXJZFUZDQ-UNOMPAQXSA-N	-2	0	482.489	3.000	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409228676	570176748	/nfs/dbraw/zinc/17/67/48/570176748.db2.gz	CJVKRXVDWIOCIT-SWEABUAFSA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409238752	570181024	/nfs/dbraw/zinc/18/10/24/570181024.db2.gz	NRSPCXKLDQBWAZ-KBVGCWLLSA-N	-2	0	489.278	2.976	40	10		JFCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409239174	570181173	/nfs/dbraw/zinc/18/11/73/570181173.db2.gz	ORHVAGQBNCBTPQ-HNEYUBDGSA-N	-2	0	454.435	2.612	40	10		JFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409248487	570185086	/nfs/dbraw/zinc/18/50/86/570185086.db2.gz	KRAZPGQJQWNHAK-MLDYKZIASA-N	-2	0	454.504	2.941	40	10		JFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn([C@@H](C)C(=O)[O-])c4ccccc34)C2=O)c(OC)c1	ZINC000009260136	555034410	/nfs/dbraw/zinc/03/44/10/555034410.db2.gz	SPTGRJDGBDGQFA-NWRYFCBHSA-N	-2	0	463.446	2.971	40	10		JFCBRL
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc(Br)c1O	ZINC000036613181	569778050	/nfs/dbraw/zinc/77/80/50/569778050.db2.gz	VOJBXPTUGNWCOE-ISAHRAOESA-N	-2	0	476.326	2.683	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104214141	569843236	/nfs/dbraw/zinc/84/32/36/569843236.db2.gz	JEXHFNSTXRONEH-ILIWDHLYSA-N	-2	0	492.521	2.800	40	10		JFCBRL
COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000108917291	569859833	/nfs/dbraw/zinc/85/98/33/569859833.db2.gz	YKQAWMOBDAPOJQ-ZRRZQRFHSA-N	-2	0	461.268	2.771	40	10		JFCBRL
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000408854053	570056143	/nfs/dbraw/zinc/05/61/43/570056143.db2.gz	WOSHWSNBMKQNFA-RIYZIHGNSA-N	-2	0	471.422	2.773	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409020967	570102896	/nfs/dbraw/zinc/10/28/96/570102896.db2.gz	WICPNEBNMBMXCY-FBJMNJBLSA-N	-2	0	454.504	2.995	40	10		JFCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1OC	ZINC000409210208	570169326	/nfs/dbraw/zinc/16/93/26/570169326.db2.gz	FMOUMVJWVFVPFU-RIYZIHGNSA-N	-2	0	471.422	2.773	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409228675	570176734	/nfs/dbraw/zinc/17/67/34/570176734.db2.gz	CJVKRXVDWIOCIT-MPMPPSQCSA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Br)cc1O	ZINC000036613167	521973082	/nfs/dbraw/zinc/97/30/82/521973082.db2.gz	YSAKWUUHNNPDOL-UKWOQQOSSA-N	-2	0	476.326	2.683	40	10		JFCBRL
C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033914267	569637486	/nfs/dbraw/zinc/63/74/86/569637486.db2.gz	UIZSMYRGFGFEOY-QVASGMJFSA-N	-2	0	476.239	2.671	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104204058	569842935	/nfs/dbraw/zinc/84/29/35/569842935.db2.gz	YWVNIDGLQZUIQQ-MWFTZXFNSA-N	-2	0	492.521	2.800	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408695345	570017776	/nfs/dbraw/zinc/01/77/76/570017776.db2.gz	SAFIJGWZFPAMKH-NTUHNPAUSA-N	-2	0	481.299	2.716	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408776890	570040417	/nfs/dbraw/zinc/04/04/17/570040417.db2.gz	SCBDUWPZVKRNHS-VGOFMYFVSA-N	-2	0	489.278	2.896	40	10		JFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000409020816	570102889	/nfs/dbraw/zinc/10/28/89/570102889.db2.gz	UFBPKSYXDCOXPB-XDUBLRSXSA-N	-2	0	454.504	2.941	40	10		JFCBRL
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12	ZINC000299888245	570177851	/nfs/dbraw/zinc/17/78/51/570177851.db2.gz	BIRSOLGVSAACRW-UHFFFAOYSA-N	-2	0	468.425	2.945	40	10		JFCBRL
O=C([O-])COc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000001105914	194025535	/nfs/dbraw/zinc/02/55/35/194025535.db2.gz	VEQRCFVFBNBFTH-ZROIWOOFSA-N	-2	0	461.293	2.744	40	10		JFCBRL
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000004523148	527459970	/nfs/dbraw/zinc/45/99/70/527459970.db2.gz	SNUHXDGOPDEGQK-VHEBQXMUSA-N	-2	0	468.425	2.945	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104204053	569842989	/nfs/dbraw/zinc/84/29/89/569842989.db2.gz	MMKWYDMAFMAUDD-LSJZCYCUSA-N	-2	0	469.508	2.850	40	10		JFCBRL
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000108917287	569859826	/nfs/dbraw/zinc/85/98/26/569859826.db2.gz	YKQAWMOBDAPOJQ-GPILYODUSA-N	-2	0	461.268	2.771	40	10		JFCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C2=O)c1	ZINC000409014391	570100578	/nfs/dbraw/zinc/10/05/78/570100578.db2.gz	PJTKXYXEVGKTSD-VGSSETLESA-N	-2	0	454.435	2.612	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020968	570102928	/nfs/dbraw/zinc/10/29/28/570102928.db2.gz	WICPNEBNMBMXCY-NGWPFTMJSA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409231801	570178031	/nfs/dbraw/zinc/17/80/31/570178031.db2.gz	KUMLLGYKRIYNTQ-LUYJPIOASA-N	-2	0	454.504	2.995	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409232652	570178456	/nfs/dbraw/zinc/17/84/56/570178456.db2.gz	AXKBGVOFMGMIGA-SWEABUAFSA-N	-2	0	454.504	2.995	40	10		JFCBRL
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000409242820	570182729	/nfs/dbraw/zinc/18/27/29/570182729.db2.gz	PEXPIIOZBMAFOZ-VLURKWGBSA-N	-2	0	454.504	2.941	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104204065	569842906	/nfs/dbraw/zinc/84/29/06/569842906.db2.gz	YWVNIDGLQZUIQQ-HNQMNILESA-N	-2	0	492.521	2.800	40	10		JFCBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000408741461	570032341	/nfs/dbraw/zinc/03/23/41/570032341.db2.gz	MDHSBYSFTBTDPA-KTZOAPACSA-N	-2	0	467.279	2.997	40	10		JFCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)ccc1Br	ZINC000408758928	570036316	/nfs/dbraw/zinc/03/63/16/570036316.db2.gz	UYKODXOUVQEBFZ-WUXMJOGZSA-N	-2	0	491.210	2.946	40	10		JFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])cc(I)c3[O-])C2=O)cc1	ZINC000408897925	570067516	/nfs/dbraw/zinc/06/75/16/570067516.db2.gz	JOZVWSVWQRDAMR-NTUHNPAUSA-N	-2	0	493.213	2.880	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1[O-]	ZINC000408901720	570068856	/nfs/dbraw/zinc/06/88/56/570068856.db2.gz	AXEIASGKPMIPMW-WUXMJOGZSA-N	-2	0	497.176	2.711	40	10		JFCBRL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Br	ZINC000408912515	570073497	/nfs/dbraw/zinc/07/34/97/570073497.db2.gz	HWWMAXPEBPVNFJ-AWNIVKPZSA-N	-2	0	463.215	2.718	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408947583	570083766	/nfs/dbraw/zinc/08/37/66/570083766.db2.gz	COHRWHWZNMXWCP-WLRTZDKTSA-N	-2	0	488.836	2.597	40	10		JFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000409016690	570101427	/nfs/dbraw/zinc/10/14/27/570101427.db2.gz	VKXOEXJLJINVSW-VZWMTCDZSA-N	-2	0	470.503	2.777	40	10		JFCBRL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409046453	570108855	/nfs/dbraw/zinc/10/88/55/570108855.db2.gz	KTFARARSASENCY-VGOFMYFVSA-N	-2	0	460.826	2.574	40	10		JFCBRL
CCOC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000409189346	570161400	/nfs/dbraw/zinc/16/14/00/570161400.db2.gz	JQYVUFYHBMXAMD-WOJGMQOQSA-N	-2	0	477.498	2.734	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(Br)cc1O	ZINC000409192568	570162416	/nfs/dbraw/zinc/16/24/16/570162416.db2.gz	YTMXRQRQIOYRDN-WUXMJOGZSA-N	-2	0	477.292	2.693	40	10		JFCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000409194709	570163225	/nfs/dbraw/zinc/16/32/25/570163225.db2.gz	QRLOXOLNMBQYGL-UDWIEESQSA-N	-2	0	488.525	2.723	40	10		JFCBRL
O=Cc1ccc(NN=C2C(O)=C3C(=O)C=C(S(=O)(=O)[O-])C=C3C=C2S(=O)(=O)[O-])cc1	ZINC000102311617	569812349	/nfs/dbraw/zinc/81/23/49/569812349.db2.gz	BXGFPMHXFNPUKK-VHEBQXMUSA-N	-2	0	452.422	2.972	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c([O-])c([N+](=O)[O-])c1	ZINC000408743026	570032798	/nfs/dbraw/zinc/03/27/98/570032798.db2.gz	YQQRHJLVTVLWGQ-IZZDOVSWSA-N	-2	0	479.186	2.571	40	10		JFCBRL
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408857006	570056670	/nfs/dbraw/zinc/05/66/70/570056670.db2.gz	KGIASHZDISKAAP-OQLLNIDSSA-N	-2	0	469.406	2.542	40	10		JFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000409190070	570161579	/nfs/dbraw/zinc/16/15/79/570161579.db2.gz	VPEJPGMRTRSUGX-LDADJPATSA-N	-2	0	462.443	2.915	40	10		JFCBRL
C[C@H](Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O)C(=O)[O-]	ZINC000409190030	570161623	/nfs/dbraw/zinc/16/16/23/570161623.db2.gz	UWFKXLHXHOWVJF-ZRRZQRFHSA-N	-2	0	459.252	2.967	40	10		JFCBRL
COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409191216	570162003	/nfs/dbraw/zinc/16/20/03/570162003.db2.gz	DMRORUOPOOKKQH-NTEUORMPSA-N	-2	0	461.293	2.987	40	10		JFCBRL
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000409192310	570162358	/nfs/dbraw/zinc/16/23/58/570162358.db2.gz	ARHRCOANXZTUCG-NTUHNPAUSA-N	-2	0	491.319	2.996	40	10		JFCBRL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409230277	570177558	/nfs/dbraw/zinc/17/75/58/570177558.db2.gz	XYZGMALPVOURTO-VLURKWGBSA-N	-2	0	454.435	2.612	40	10		JFCBRL
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000008821639	554710198	/nfs/dbraw/zinc/71/01/98/554710198.db2.gz	JHUFYBKGNWDJFL-MSUUIHNZSA-N	-2	0	454.485	2.900	40	10		JFCBRL
C[C@H](Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000033914265	569637477	/nfs/dbraw/zinc/63/74/77/569637477.db2.gz	UIZSMYRGFGFEOY-BNDQCTAISA-N	-2	0	476.239	2.671	40	10		JFCBRL
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1	ZINC000095909114	569729431	/nfs/dbraw/zinc/72/94/31/569729431.db2.gz	NYGJQEDISVOGKW-XKBFBRDOSA-N	-2	0	478.460	2.993	40	10		JFCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)C2=O)cc1OC	ZINC000409123301	570136704	/nfs/dbraw/zinc/13/67/04/570136704.db2.gz	FXINJZPJKATODJ-WQRHYEAKSA-N	-2	0	468.462	2.609	40	10		JFCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000409191817	570162238	/nfs/dbraw/zinc/16/22/38/570162238.db2.gz	OAMPJGXVWLCNSC-LDADJPATSA-N	-2	0	462.443	2.915	40	10		JFCBRL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(C(=O)[O-])c3)C2=O)cc1OC	ZINC000409210981	570169727	/nfs/dbraw/zinc/16/97/27/570169727.db2.gz	MLLRVYYSQUVJQG-LFIBNONCSA-N	-2	0	454.435	2.857	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409238747	570180862	/nfs/dbraw/zinc/18/08/62/570180862.db2.gz	NRSPCXKLDQBWAZ-HGLKBHAMSA-N	-2	0	489.278	2.976	40	10		JFCBRL
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)[N-]C1=S	ZINC000409248484	570185082	/nfs/dbraw/zinc/18/50/82/570185082.db2.gz	KRAZPGQJQWNHAK-HKJJFUAXSA-N	-2	0	454.504	2.941	40	10		JFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000002308779	554142915	/nfs/dbraw/zinc/14/29/15/554142915.db2.gz	CVZGAXVWPMDOKG-WUXMJOGZSA-N	-2	0	462.212	2.738	40	10		JFCBRL
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c(Br)cc1O	ZINC000036613166	569778119	/nfs/dbraw/zinc/77/81/19/569778119.db2.gz	YSAKWUUHNNPDOL-IWKZGAEBSA-N	-2	0	476.326	2.683	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104203998	569842954	/nfs/dbraw/zinc/84/29/54/569842954.db2.gz	QTEULSNJILANLC-WWDJGNSZSA-N	-2	0	463.479	2.788	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000104204047	569842998	/nfs/dbraw/zinc/84/29/98/569842998.db2.gz	MMKWYDMAFMAUDD-PXFSWQRTSA-N	-2	0	469.508	2.850	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104214164	569843229	/nfs/dbraw/zinc/84/32/29/569843229.db2.gz	VGMJLSSBYDZHOD-LYEHZDMLSA-N	-2	0	463.479	2.788	40	10		JFCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C2=O)c1	ZINC000409014392	570100617	/nfs/dbraw/zinc/10/06/17/570100617.db2.gz	PJTKXYXEVGKTSD-VZWMTCDZSA-N	-2	0	454.435	2.612	40	10		JFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)[N-]C2=S)c1	ZINC000409016688	570101313	/nfs/dbraw/zinc/10/13/13/570101313.db2.gz	VKXOEXJLJINVSW-VGSSETLESA-N	-2	0	470.503	2.777	40	10		JFCBRL
Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1O)C(S(=O)(=O)[O-])=C2	ZINC000299888537	570177918	/nfs/dbraw/zinc/17/79/18/570177918.db2.gz	NQGIFVWQIYLXKQ-UHFFFAOYSA-N	-2	0	484.424	2.650	40	10		JFCBRL
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409232651	570178422	/nfs/dbraw/zinc/17/84/22/570178422.db2.gz	AXKBGVOFMGMIGA-MPMPPSQCSA-N	-2	0	454.504	2.995	40	10		JFCBRL
O=Cc1ccc(NN=C2C(O)=C3C(=O)C=C(S(=O)(=O)[O-])C=C3C=C2S(=O)(=O)[O-])cc1	ZINC000004583953	194392662	/nfs/dbraw/zinc/39/26/62/194392662.db2.gz	BXGFPMHXFNPUKK-HNENSFHCSA-N	-2	0	452.422	2.972	40	10		JFCBRL
C[C@@H](Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000035404776	569691741	/nfs/dbraw/zinc/69/17/41/569691741.db2.gz	JGTRCIOOCILPJZ-DOQDJBIESA-N	-2	0	476.239	2.671	40	10		JFCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000100334498	569757752	/nfs/dbraw/zinc/75/77/52/569757752.db2.gz	OKIZSWHCKYRNIB-AJYIMBPMSA-N	-2	0	493.505	2.696	40	10		JFCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000100334502	569757776	/nfs/dbraw/zinc/75/77/76/569757776.db2.gz	OKIZSWHCKYRNIB-IRCXXISZSA-N	-2	0	493.505	2.696	40	10		JFCBRL
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc(Br)c1O	ZINC000036613182	569778103	/nfs/dbraw/zinc/77/81/03/569778103.db2.gz	VOJBXPTUGNWCOE-NJQKBMNKSA-N	-2	0	476.326	2.683	40	10		JFCBRL
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000040567574	569830335	/nfs/dbraw/zinc/83/03/35/569830335.db2.gz	KMAMBUDAFBCZKZ-ATDKOCKZSA-N	-2	0	461.473	2.862	40	10		JFCBRL
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104204062	569843041	/nfs/dbraw/zinc/84/30/41/569843041.db2.gz	YWVNIDGLQZUIQQ-ILIWDHLYSA-N	-2	0	492.521	2.800	40	10		JFCBRL
COc1cc(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000108917295	569859828	/nfs/dbraw/zinc/85/98/28/569859828.db2.gz	YKQAWMOBDAPOJQ-PDICVPPASA-N	-2	0	461.268	2.771	40	10		JFCBRL
Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408945848	570083497	/nfs/dbraw/zinc/08/34/97/570083497.db2.gz	ODYOGFFVACARFK-VIZOYTHASA-N	-3	0	460.489	2.776	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409008768	570098863	/nfs/dbraw/zinc/09/88/63/570098863.db2.gz	GOAGAHAULDUROI-UXYFDLPDSA-N	-2	0	489.278	2.976	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1OC	ZINC000409195589	570163475	/nfs/dbraw/zinc/16/34/75/570163475.db2.gz	WPPYPBSTRPRMLM-QPEQYQDCSA-N	-2	0	491.319	2.996	40	10		JFCBRL
CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c32)c(S(=O)(=O)[O-])c1	ZINC000263614380	570172628	/nfs/dbraw/zinc/17/26/28/570172628.db2.gz	IJPUPVHRAZCFRI-UHFFFAOYSA-N	-2	0	480.480	2.995	40	10	in-vitro	JFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409221369	570174588	/nfs/dbraw/zinc/17/45/88/570174588.db2.gz	PJIIQCSGQNXFLU-VVBXCHJUSA-N	-2	0	470.503	2.777	40	10		JFCBRL
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C(=O)[N-]C2=S)c1	ZINC000409221368	570174594	/nfs/dbraw/zinc/17/45/94/570174594.db2.gz	PJIIQCSGQNXFLU-HNEYUBDGSA-N	-2	0	470.503	2.777	40	10		JFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn([C@H](C)C(=O)[O-])c4ccccc34)C2=O)c(OC)c1	ZINC000009260139	555034337	/nfs/dbraw/zinc/03/43/37/555034337.db2.gz	SPTGRJDGBDGQFA-OMJMQIJPSA-N	-2	0	463.446	2.971	40	10		JFCBRL
C[C@H](Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000035404771	569691734	/nfs/dbraw/zinc/69/17/34/569691734.db2.gz	JGTRCIOOCILPJZ-WULZRQGASA-N	-2	0	476.239	2.671	40	10		JFCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000100334505	569757676	/nfs/dbraw/zinc/75/76/76/569757676.db2.gz	OKIZSWHCKYRNIB-GREHKBSCSA-N	-2	0	493.505	2.696	40	10		JFCBRL
CCOC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000100334509	569757759	/nfs/dbraw/zinc/75/77/59/569757759.db2.gz	OKIZSWHCKYRNIB-RRRUWBTGSA-N	-2	0	493.505	2.696	40	10		JFCBRL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740599	570031939	/nfs/dbraw/zinc/03/19/39/570031939.db2.gz	HHSUCWXFQTXPAS-XGICHPGQSA-N	-2	0	493.251	2.802	40	10		JFCBRL
O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408911000	570072548	/nfs/dbraw/zinc/07/25/48/570072548.db2.gz	MMCGRJXZNAKJNM-VGOFMYFVSA-N	-2	0	463.215	2.718	40	10		JFCBRL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409239176	570181149	/nfs/dbraw/zinc/18/11/49/570181149.db2.gz	ORHVAGQBNCBTPQ-VVBXCHJUSA-N	-2	0	454.435	2.612	40	10		JFCBRL
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000408533671	570189064	/nfs/dbraw/zinc/18/90/64/570189064.db2.gz	OSZCVCXZIYHSGG-FOWTUZBSSA-N	-2	0	483.531	2.831	40	10		JFCBRL
Cc1[n-]n(C(=O)c2cccnc2)c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000104214150	569843277	/nfs/dbraw/zinc/84/32/77/569843277.db2.gz	JEXHFNSTXRONEH-SVPNMLMASA-N	-2	0	492.521	2.800	40	10		JFCBRL
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000104366727	569845355	/nfs/dbraw/zinc/84/53/55/569845355.db2.gz	SNUHXDGOPDEGQK-HNENSFHCSA-N	-2	0	468.425	2.945	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)[O-]	ZINC000107890033	569857774	/nfs/dbraw/zinc/85/77/74/569857774.db2.gz	WAHLPFCDCKDNGN-ZEVOCZHWSA-N	-2	0	461.268	2.771	40	10		JFCBRL
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000107890025	569857776	/nfs/dbraw/zinc/85/77/76/569857776.db2.gz	WAHLPFCDCKDNGN-KSSSLANASA-N	-2	0	461.268	2.771	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409008767	570098851	/nfs/dbraw/zinc/09/88/51/570098851.db2.gz	GOAGAHAULDUROI-OXFWXOROSA-N	-2	0	489.278	2.976	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409010279	570099337	/nfs/dbraw/zinc/09/93/37/570099337.db2.gz	BPNTXDUJKILKGN-BTAWCLGRSA-N	-2	0	489.278	2.976	40	10		JFCBRL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409020865	570102905	/nfs/dbraw/zinc/10/29/05/570102905.db2.gz	UWXJHRGAOYZXDH-DWKHYPNZSA-N	-2	0	454.504	2.995	40	10		JFCBRL
O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	ZINC000409075973	570119981	/nfs/dbraw/zinc/11/99/81/570119981.db2.gz	ZRSAVBQRXXMLPE-LFYBBSHMSA-N	-2	0	451.218	2.829	40	10		JFCBRL
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)[N-]C2=S)c(OC)c1	ZINC000409098157	570127445	/nfs/dbraw/zinc/12/74/45/570127445.db2.gz	NPSZQLMYSZMGMU-CXUHLZMHSA-N	-2	0	465.487	2.574	40	10		JFCBRL
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000016488314	527047509	/nfs/dbraw/zinc/04/75/09/527047509.db2.gz	BVLBBVXDSXYHPI-VBKFSLOCSA-N	-2	0	469.504	2.523	40	10		JFCBRL
Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N\c1ccc([N+](=O)[O-])cc1S(=O)(=O)[O-]	ZINC000017311127	527509564	/nfs/dbraw/zinc/50/95/64/527509564.db2.gz	VCCBSXQXECFSJO-HNENSFHCSA-N	-2	0	468.425	2.945	40	10		JFCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000006798412	554557979	/nfs/dbraw/zinc/55/79/79/554557979.db2.gz	PAKBMMARPIWPLP-DHDCSXOGSA-N	-2	0	459.252	2.887	40	10		JFCBRL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I)C(=O)[O-]	ZINC000033560370	569627802	/nfs/dbraw/zinc/62/78/02/569627802.db2.gz	WBRIHAKBWZMOEJ-HOXUKUGESA-N	-2	0	478.242	2.605	40	10		JFCBRL
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000033741278	569633126	/nfs/dbraw/zinc/63/31/26/569633126.db2.gz	KUQJWQITSZGHFR-ZSOIEALJSA-N	-2	0	461.268	2.773	40	10		JFCBRL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)ccc1Br	ZINC000408762923	570037279	/nfs/dbraw/zinc/03/72/79/570037279.db2.gz	NBRVGTYQQSBJSD-NTEUORMPSA-N	-2	0	459.252	2.887	40	10		JFCBRL
CCN1C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)C(=O)N(CC)C1=S	ZINC000408954475	570084590	/nfs/dbraw/zinc/08/45/90/570084590.db2.gz	XBNYILONGTVMCK-UHFFFAOYSA-N	-2	0	469.519	2.869	40	10		JFCBRL
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000409196225	570163593	/nfs/dbraw/zinc/16/35/93/570163593.db2.gz	XUKFVXOGLSHNRW-NTUHNPAUSA-N	-2	0	491.319	2.996	40	10		JFCBRL
O=C([O-])c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1O	ZINC000299888227	570177926	/nfs/dbraw/zinc/17/79/26/570177926.db2.gz	AVQNYAVVZFBCKZ-UHFFFAOYSA-N	-3	0	484.420	2.564	40	10		JFCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(-n4nc(C)cc4C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000408535646	570190093	/nfs/dbraw/zinc/19/00/93/570190093.db2.gz	ZHSUYXLYCMFQAR-UNOMPAQXSA-N	-2	0	475.461	2.775	40	10		JFCBRL